SCHEMBL7674289

SCHEMBL7674289

CCOc1nccc2c(C)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP2A6 P11509 2/20 0.46
HPGD P15428 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LRRK2 Q5S007 1/20 0.41
GRM5 P41594 2/20 0.41
MEN1 O00255 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPC1 O15118 2/20 0.40
PSMD14 O00487 1/20 0.40
COPS5 Q92905 1/20 0.40
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30418432 1.00 CYP1A2 (0.46) CYP1A2CYP2A6HPGDKMT2AALDH1A1
SCHEMBL30417914 0.86 CYP1A2 (0.43) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL7676148 0.86 CYP1A2 (0.43) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL30417598 0.85 TP53 (0.43) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL7677862 0.85 TP53 (0.43) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL7680562 0.81 CYP1A2 (0.50) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL30418504 0.81 CYP1A2 (0.50) CYP1A2CYP2A6HPGDALDH1A1KDM4E
SCHEMBL30418273 0.81 HPGD (0.46) HPGDKMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL17040757 0.81 HPGD (0.50) CYP1A2HPGDKMT2AALDH1A1KDM4E
SCHEMBL7682274 0.81 HPGD (0.46) HPGDKMT2AKDM4EMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380211-B1 FOR TREATING DIABETES GUILFORD PHARMACEUTICAL INC. 2002-04-30 US claimed
US-6197785-B1 CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-03-06 US claimed
EP-1012145-A1 ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-28 EP claimed
WO-1999011628-A1 ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHI BITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 EP disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885CYP2A6 3060/4885HPGD 1188/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CYP1A2 3666/4885CYP2A6 3060/4885HPGD 1188/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885CYP2A6 3060/4885HPGD 1188/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 CYP1A2 687/4885CYP2A6 825/4885HPGD 672/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 CYP1A2 3666/4885CYP2A6 3060/4885HPGD 1188/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 CYP1A2 4205/4885CYP2A6 2608/4885HPGD 80/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.